N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide

C19H29N3O2 — CID 3226886

IUPACN-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESO=C(CNCC1CCCO1)Nc1ccccc1N1CCCCCC1
InChIInChI=1S/C19H29N3O2/c23-19(15-20-14-16-8-7-13-24-16)21-17-9-3-4-10-18(17)22-11-5-1-2-6-12-22/h3-4,9-10,16,20H,1-2,5-8,11-15H2,(H,21,23)
InChIKeyRXSJWJBTZZQMAZ-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.77
Rot. Bonds6

About N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide

N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 3226886) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID3226886
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESO=C(CNCC1CCCO1)Nc1ccccc1N1CCCCCC1
InChIInChI=1S/C19H29N3O2/c23-19(15-20-14-16-8-7-13-24-16)21-17-9-3-4-10-18(17)22-11-5-1-2-6-12-22/h3-4,9-10,16,20H,1-2,5-8,11-15H2,(H,21,23)
InChIKeyRXSJWJBTZZQMAZ-UHFFFAOYSA-N
XLogP2.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide (CID 3226886) is N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide is O=C(CNCC1CCCO1)Nc1ccccc1N1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is RXSJWJBTZZQMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-19(15-20-14-16-8-7-13-24-16)21-17-9-3-4-10-18(17)22-11-5-1-2-6-12-22/h3-4,9-10,16,20H,1-2,5-8,11-15H2,(H,21,23).
What are the key properties of N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide?
N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 3226886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).